HADDOCK3

The new modular version of the popular HADDOCK software for computational prediction of biomolecular complexes (see the research article). Check out the HADDOCK3 code repository and the official documentation page for more information. Description


ARCTIC-3D

A software for retrieval and clustering of existing biomolecular interfaces. Check out the paper and the code repository. ARCTIC-3D is also available as a standalone webserver. Description



EXCOGITO

A software for performing dimensionality reduction and coarse-graining of biomolecular and other complex systems. Have a look at the Github repository for more information and details. Description



FAST-RMSDMATRIX

A dependency-free C code for parallel RMSD and Interface-ligand-RMSD matrix calculation, useful for parallelising structural comparisons between large sets of structures. Much faster than Python and any other CPU-based code. Check out the code repository.